4-Phenyl-1H-pyrazole, 98%

Name: 4-Phenyl-1H-pyrazole
Brand: Chempure

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CAS Number

10199-68-5

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About this item

IUPAC name	4-phenyl-1H-pyrazole
canonical smiles	C1=CC=C(C=C1)C2=CNN=C2
inchi	InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-11-7-9/h1-7H,(H,10,11)
inchi key	GPGKNEKFDGOXPO-UHFFFAOYSA-N
molecular formula	C9H8N2
synonyms	4-Phenyl-1H-pyrazole 10199-68-5 4-Phenylpyrazole 1H-Pyrazole, 4-phenyl- Pyrazole, 4-phenyl-

Computed Properties

Molecular Weight:	144.17 g/mol
XLogP3:	1.8
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	1
Exact Mass:	144.068748264 g/mol
Monoisotopic Mass:	144.068748264 g/mol
Topological Polar Surface Area:	28.7 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	119
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (100%)
precautionary statement codes	P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

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Product No: AX9349

4-Phenyl-1H-pyrazole, 98%

Product No: AX9349

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NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?